2,2',4,4',5,5'-Hexabromobiphenyl

Base Information

• Chemical Name: 2,2',4,4',5,5'-Hexabromobiphenyl
• CAS No.: 59080-40-9
• Molecular Formula: C12H4Br6
• Molecular Weight: 627.5842
• European Community (EC) Number: 614-131-1
• UNII: 9S2PWX7KBN
• DSSTox Substance ID: DTXSID70858838
• Nikkaji Number: J277.639A
• Wikidata: Q26840910
• Metabolomics Workbench ID: 87152
• Mol file: 59080-40-9.mol

Synonyms:2,2',4,4',5,5'-hexabromobiphenyl;2,4,5,2',4',5'-hexabromobiphenyl;245-HBB;345-HBB;PBB 153;PBB-153;PBB153

Chemical Property of 2,2',4,4',5,5'-Hexabromobiphenyl

Chemical Property:

• Melting Point: 72 °C
• Boiling Point: 474.4 °C at 760 mmHg
• Flash Point: 231.9 °C
• PSA: 0.00000
• Density: 2.492 g/cm³
• LogP: 7.92860
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 627.53518
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

PBB153 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br